![2-[Hydroxy-(4-nitrophenyl)methyl]-2-propenoic acid propan-2-yl ester](/api/spectrum/6RjEyzpxUnE/structure.png?h=300&w=458 "2-[Hydroxy-(4-nitrophenyl)methyl]-2-propenoic acid propan-2-yl ester")
| SpectraBase Compound ID | BIE3joMj8j7 |
|---|---|
| InChI | InChI=1S/C13H15NO5/c1-8(2)19-13(16)9(3)12(15)10-4-6-11(7-5-10)14(17)18/h4-8,12,15H,3H2,1-2H3 |
| InChIKey | RWWTWHUDRIAFRT-UHFFFAOYSA-N |
| Mol Weight | 265.26 g/mol |
| Molecular Formula | C13H15NO5 |
| Exact Mass | 265.095023 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6RjEyzpxUnE |
|---|---|
| Name | 2-[Hydroxy-(4-nitrophenyl)methyl]-2-propenoic acid propan-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 265.095022582 u |
| Formula | C13H15NO5 |
| InChI | InChI=1S/C13H15NO5/c1-8(2)19-13(16)9(3)12(15)10-4-6-11(7-5-10)14(17)18/h4-8,12,15H,3H2,1-2H3 |
| InChIKey | RWWTWHUDRIAFRT-UHFFFAOYSA-N |
| Molecular Weight | 265.265 g/mol |
| SMILES | C(C(OC(C)C)=O)(C(C1=CC=C(N(=O)=O)C=C1)O)=C |